CID 121553717

5-methoxy-2-(2,2,3,3-tetrafluoropropoxy)benzoic acid

Structural Information

Molecular Formula
C11H10F4O4
SMILES
COC1=CC(=C(C=C1)OCC(C(F)F)(F)F)C(=O)O
InChI
InChI=1S/C11H10F4O4/c1-18-6-2-3-8(7(4-6)9(16)17)19-5-11(14,15)10(12)13/h2-4,10H,5H2,1H3,(H,16,17)
InChIKey
WSAYEIZIRXBWGE-UHFFFAOYSA-N
Compound name
5-methoxy-2-(2,2,3,3-tetrafluoropropoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0515 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05878 154.5
[M+Na]+ 305.04072 162.5
[M-H]- 281.04422 151.7
[M+NH4]+ 300.08532 169.5
[M+K]+ 321.01466 160.6
[M+H-H2O]+ 265.04876 145.3
[M+HCOO]- 327.04970 170.0
[M+CH3COO]- 341.06535 197.5
[M+Na-2H]- 303.02617 155.8
[M]+ 282.05095 152.4
[M]- 282.05205 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.